Geometry & MOs

Info

ID:	359765
PubChem CID:	127299712
Reduced:	O2N5C22H31 (1)
Stoich.:	A2B5C22D31 (1)
Weight, g/mol:	397.203528
ΔH_f, kcal/mol:	-45.13
Dipole, Da:	8.34
IP(EA), eV:	-8.99(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyclopropylpiperazine-1-carbonyl)-N-(1,1-dioxothiolan-3-yl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN(C)C1CCN(CC1)C(=O)CC2CCN(CC2)C(=O)C3=CN4C=CN=C4C=C3

DOS

IR

Vibrations